2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid

C7H7F3N2O2 — CID 50896678

IUPAC2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid
SMILESO=C(O)Cc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)4-12-2-1-5(11-12)3-6(13)14/h1-2H,3-4H2,(H,13,14)
InChIKeyUNFZKRKCIQJNKV-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.07
Rot. Bonds3

About 2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid

2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid (PubChem CID 50896678) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid
PubChem CID50896678
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid
SMILESO=C(O)Cc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)4-12-2-1-5(11-12)3-6(13)14/h1-2H,3-4H2,(H,13,14)
InChIKeyUNFZKRKCIQJNKV-UHFFFAOYSA-N
XLogP1.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid?
The IUPAC name of 2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid (CID 50896678) is 2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid is O=C(O)Cc1ccn(CC(F)(F)F)n1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid?
The InChIKey is UNFZKRKCIQJNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c8-7(9,10)4-12-2-1-5(11-12)3-6(13)14/h1-2H,3-4H2,(H,13,14).
What are the key properties of 2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid?
2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid has a molecular weight of 208.14 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetic acid is sourced from PubChem (CID 50896678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).